in-silico pharmacokinetic and toxicological prediction of bioactive compounds from Gymnema sylvestre
Kiran Gaikwad, Parixit Bhandurge, Shailendra S Suryawanshi
Gymnema sylvestre is important medicinal plant distributed throughout the world and it has documented to possess many beneficial effects. It has been reported for the presence of wide variety of simple and complex primary and secondary phytoconstituents. In the present investigation an attempt has been made to carry out in-silico prediction of pharmacokinetic and toxicological properties of bioactive compounds from Gymnema sylvestre. We have selected “Gymnemic acids (Gymnemic acid I, II, III, IV, V, VI, and VII) Gymnemoside A to F, Quercitol and Stigmasterol” from the plant. PubChem database was used to find out the canonical smiles. Molsoft server was used for the drug likeness and molecular property prediction. The admetSAR, SwissADME servers were used for the determination of pharmacokinetic and toxicity properties prediction. The results of investigation yield the drug likeness score of selected phytoconstituents along with its pharmacokinetic and toxicity properties. The present investigation concludes that computer and server based screening play important role for identification of drug like candidates and to predict pharmacokinetic and toxicological properties of selected bioactive compounds from plant Gymnema sylvestre.
Kiran Gaikwad, Parixit Bhandurge, Shailendra S Suryawanshi. in-silico pharmacokinetic and toxicological prediction of bioactive compounds from Gymnema sylvestre. International Journal of Botany Studies, Volume 7, Issue 1, 2022, Pages 498-501